N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C16H19N5O2S — CID 96524354

About N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 96524354) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• PubChem CID: 96524354
• Molecular Formula: C16H19N5O2S
• Molecular Weight: 345.43 g/mol
• Exact Mass: 345.13
• IUPAC Name: N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
• SMILES: Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)c2ccsc2)[nH]n1
• InChI: InChI=1S/C16H19N5O2S/c1-9-15(10(2)21(3)20-9)12-6-13(19-18-12)16(23)17-7-14(22)11-4-5-24-8-11/h4-6,8,14,22H,7H2,1-3H3,(H,17,23)(H,18,19)/t14-/m0/s1
• InChIKey: QPZPIZBXWIPCSA-AWEZNQCLSA-N
• XLogP: 1.95
• TPSA: 95.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.43
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 96524354) is N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H](O)c2ccsc2)[nH]n1.

What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

The InChIKey is QPZPIZBXWIPCSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-9-15(10(2)21(3)20-9)12-6-13(19-18-12)16(23)17-7-14(22)11-4-5-24-8-11/h4-6,8,14,22H,7H2,1-3H3,(H,17,23)(H,18,19)/t14-/m0/s1.

What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?

N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 96524354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).